Geometry & MOs

Info

ID:	196633
PubChem CID:	78856927
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	4.12
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C1CC(=O)N(C1)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations